SCHEMBL2070518

SCHEMBL2070518

N#Cc1ccc(Oc2ccc(CN3CCC(NC(=O)c4ccc(-c5cccc(F)c5)nc4)CC3)cn2)cc1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 3/20 0.58
PRKAA2 P54646 17/20 0.58
PRKAB2 O43741 11/20 0.52
PRKAG1 P54619 11/20 0.52
PRKAA1 Q13131 11/20 0.52
PRKAG3 Q9UGI9 11/20 0.52
PRKAG2 Q9UGJ0 11/20 0.52
PRKAB1 Q9Y478 11/20 0.52
KCNH2 Q12809 1/20 0.50
CYP3A4 P08684 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2071978 0.91 HPGDS (0.63) HPGDSPRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL2073468 0.90 HPGDS (0.68) HPGDSPRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL2071186 0.86 HPGDS (0.69) HPGDSPRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL2072637 0.85 HPGDS (0.67) HPGDSPRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL2072812 0.84 HPGDS (0.68) HPGDSPRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL2073021 0.83 HPGDS (0.67) HPGDSPRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL2073522 0.82 HPGDS (0.68) HPGDSPRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL2071397 0.82 HPGDS (0.65) HPGDSPRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL2072575 0.82 HPGDS (0.69) HPGDSPRKAA2PRKAB2PRKAG1PRKAA1
SCHEMBL2073008 0.81 HPGDS (0.68) HPGDSPRKAA2PRKAB2PRKAG1PRKAA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902373-B2 asthma; for treating prostaglandin D2 mediated diseases; e.g. 6-(3-fluorophenyl)-N-[1-(1-methyl-1H-tetrazol-5-yl)piperidin-4-yl]nicotinamide PFIZER INC (US) 2011-03-08 US disclosed
US-20080146569-A1 Nicotinamide Derivatives PFIZER INC. 2008-06-19 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080146569-A1 Nicotinamide Derivatives NNT, NAMPT, NADK HPGDS 984/4885PRKAA2 1504/4885PRKAB2 1121/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.